/* * Copyright (C) NHR@FAU, University Erlangen-Nuremberg. * All rights reserved. This file is part of MD-Bench. * Use of this source code is governed by a LGPL-3.0 * license that can be found in the LICENSE file. */ #include #include #ifndef __NEIGHBOR_H_ #define __NEIGHBOR_H_ typedef struct { int *neighbors; int *numneigh; } DeviceNeighbor; typedef struct { int every; int ncalls; int maxneighs; int half_neigh; int *neighbors; int *numneigh; // Device data DeviceNeighbor d_neighbor; } Neighbor; typedef struct { MD_FLOAT xprd; MD_FLOAT yprd; MD_FLOAT zprd; MD_FLOAT bininvx; MD_FLOAT bininvy; MD_FLOAT bininvz; int mbinxlo; int mbinylo; int mbinzlo; int nbinx; int nbiny; int nbinz; int mbinx; int mbiny; int mbinz; } Neighbor_params; typedef struct { int* bincount; int* bins; int mbins; int atoms_per_bin; } Binning; extern void initNeighbor(Neighbor*, Parameter*); extern void setupNeighbor(Parameter*); extern void binatoms(Atom*); extern void buildNeighbor_cpu(Atom*, Neighbor*); extern void sortAtom(Atom*); #ifdef CUDA_TARGET extern void buildNeighbor_cuda(Atom*, Neighbor*); #endif #endif